4-(3-amino-1,1-difluoropropyl)aniline

C9H12F2N2 — CID 84660577

IUPAC4-(3-amino-1,1-difluoropropyl)aniline
SMILESNCCC(F)(F)c1ccc(N)cc1
InChIInChI=1S/C9H12F2N2/c10-9(11,5-6-12)7-1-3-8(13)4-2-7/h1-4H,5-6,12-13H2
InChIKeyGYKLJGRZMZWQTB-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.71
Rot. Bonds3

About 4-(3-amino-1,1-difluoropropyl)aniline

4-(3-amino-1,1-difluoropropyl)aniline (PubChem CID 84660577) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-amino-1,1-difluoropropyl)aniline.

Molecular Properties

Compound Name4-(3-amino-1,1-difluoropropyl)aniline
PubChem CID84660577
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-(3-amino-1,1-difluoropropyl)aniline
SMILESNCCC(F)(F)c1ccc(N)cc1
InChIInChI=1S/C9H12F2N2/c10-9(11,5-6-12)7-1-3-8(13)4-2-7/h1-4H,5-6,12-13H2
InChIKeyGYKLJGRZMZWQTB-UHFFFAOYSA-N
XLogP1.71
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,1,2-trifluoroethyl)aniline
CID 138013807
4-[4-(1,1-difluorobutyl)phenyl]aniline
CID 116992150
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
4-[3-(4-aminophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]aniline
CID 22908509
2-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
CID 118144058
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
2-(4-aminophenyl)-4,4,4-trifluorobutan-2-ol
CID 130274652
3,4,4,4-tetrafluoro-3-(4-fluorophenyl)butan-1-amine
CID 115042991

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,1-difluoropropyl)aniline?
The IUPAC name of 4-(3-amino-1,1-difluoropropyl)aniline (CID 84660577) is 4-(3-amino-1,1-difluoropropyl)aniline.
What is the SMILES notation for 4-(3-amino-1,1-difluoropropyl)aniline?
The canonical SMILES for 4-(3-amino-1,1-difluoropropyl)aniline is NCCC(F)(F)c1ccc(N)cc1.
What is the InChIKey of 4-(3-amino-1,1-difluoropropyl)aniline?
The InChIKey is GYKLJGRZMZWQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-9(11,5-6-12)7-1-3-8(13)4-2-7/h1-4H,5-6,12-13H2.
What are the key properties of 4-(3-amino-1,1-difluoropropyl)aniline?
4-(3-amino-1,1-difluoropropyl)aniline has a molecular weight of 186.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,1-difluoropropyl)aniline is sourced from PubChem (CID 84660577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).